2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-1-(2-methylpiperidin-1-yl)ethanone

C14H19N3O4 — CID 3507387

IUPAC2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-1-(2-methylpiperidin-1-yl)ethanone
SMILESCc1ccc(OCC(=O)N2CCCCC2C)c([N+](=O)[O-])n1
InChIInChI=1S/C14H19N3O4/c1-10-6-7-12(14(15-10)17(19)20)21-9-13(18)16-8-4-3-5-11(16)2/h6-7,11H,3-5,8-9H2,1-2H3
InChIKeyWMTPYECTNMZQGY-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.08
Rot. Bonds4

About 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-1-(2-methylpiperidin-1-yl)ethanone

2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-1-(2-methylpiperidin-1-yl)ethanone (PubChem CID 3507387) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-1-(2-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-1-(2-methylpiperidin-1-yl)ethanone
PubChem CID3507387
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-1-(2-methylpiperidin-1-yl)ethanone
SMILESCc1ccc(OCC(=O)N2CCCCC2C)c([N+](=O)[O-])n1
InChIInChI=1S/C14H19N3O4/c1-10-6-7-12(14(15-10)17(19)20)21-9-13(18)16-8-4-3-5-11(16)2/h6-7,11H,3-5,8-9H2,1-2H3
InChIKeyWMTPYECTNMZQGY-UHFFFAOYSA-N
XLogP2.08
TPSA85.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-1-(2-methylpiperidin-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-1-(2-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-1-(2-methylpiperidin-1-yl)ethanone (CID 3507387) is 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-1-(2-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-1-(2-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-1-(2-methylpiperidin-1-yl)ethanone is Cc1ccc(OCC(=O)N2CCCCC2C)c([N+](=O)[O-])n1.
What is the InChIKey of 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-1-(2-methylpiperidin-1-yl)ethanone?
The InChIKey is WMTPYECTNMZQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-10-6-7-12(14(15-10)17(19)20)21-9-13(18)16-8-4-3-5-11(16)2/h6-7,11H,3-5,8-9H2,1-2H3.
What are the key properties of 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-1-(2-methylpiperidin-1-yl)ethanone?
2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-1-(2-methylpiperidin-1-yl)ethanone has a molecular weight of 293.32 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-1-(2-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 3507387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).